tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane

C24H35BN4O3Si — CID 140798440

About tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane

tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane (PubChem CID 140798440) has the molecular formula C24H35BN4O3Si and a molecular weight of 466.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane
• PubChem CID: 140798440
• Molecular Formula: C24H35BN4O3Si
• Molecular Weight: 466.47 g/mol
• Exact Mass: 466.26
• IUPAC Name: tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane
• SMILES: CC1(C)OB(c2ccc3cnn(-c4nccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C
• InChI: InChI=1S/C24H35BN4O3Si/c1-22(2,3)33(8,9)30-16-19-12-13-26-21(28-19)29-20-14-18(11-10-17(20)15-27-29)25-31-23(4,5)24(6,7)32-25/h10-15H,16H2,1-9H3
• InChIKey: COIJOQNOHHNQGK-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 71.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.47
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane (CID 140798440) is tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane is CC1(C)OB(c2ccc3cnn(-c4nccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C.

What is the InChIKey of tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane?

The InChIKey is COIJOQNOHHNQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35BN4O3Si/c1-22(2,3)33(8,9)30-16-19-12-13-26-21(28-19)29-20-14-18(11-10-17(20)15-27-29)25-31-23(4,5)24(6,7)32-25/h10-15H,16H2,1-9H3.

What are the key properties of tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane?

tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane has a molecular weight of 466.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]methoxy]silane is sourced from PubChem (CID 140798440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).